SCHEMBL7455707

SCHEMBL7455707

NNC(=O)c1c[nH]c2cc(CCl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NR4A2 P43354 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NHERF1 O14745 3/20 0.42
PRKAB2 O43741 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA2 P54646 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAG3 Q9UGI9 3/20 0.40
PRKAG2 Q9UGJ0 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7461248 0.88 NHERF1 (0.51) MAPTNR4A2NHERF1MEN1GABRP
SCHEMBL474836 0.74 ALDH1A1 (0.66) MAPTNR4A2HDAC1MEN1GABRP
SCHEMBL7461028 0.73 NHERF1 (0.48) NR4A2NHERF1GABRPGABRDGABRA1
Fluoride SCHEMBL31312793 0.73 ALDH1A1 (0.64) MAPTNR4A2HDAC1MEN1GABRP
SCHEMBL2649037 0.71 SPR (0.53) MAPTNHERF1MEN1KMT2ALMNA
SCHEMBL7464152 0.70 NHERF1 (0.45) NR4A2NHERF1GABRA1GABRB2KMT2A
SCHEMBL11946603 0.70 NHERF1 (0.71) NR4A2NHERF1ROCK2ROCK1MEN1
SCHEMBL26204080 0.70 NR4A2 (0.64) MAPTNR4A2MEN1GABRA1GABRB1
SCHEMBL17423706 0.69 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27927329 0.69 GABRA1 (0.52) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed